8-N-[(3-methylthiophen-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine

C12H13N5S — CID 80854414

IUPAC8-N-[(3-methylthiophen-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
SMILESCc1ccsc1CNc1nc(N)cn2ccnc12
InChIInChI=1S/C12H13N5S/c1-8-2-5-18-9(8)6-15-11-12-14-3-4-17(12)7-10(13)16-11/h2-5,7H,6,13H2,1H3,(H,15,16)
InChIKeyISICZRVRCAYNKO-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.29
Rot. Bonds3

About 8-N-[(3-methylthiophen-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine

8-N-[(3-methylthiophen-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine (PubChem CID 80854414) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is 8-N-[(3-methylthiophen-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine.

Molecular Properties

Compound Name8-N-[(3-methylthiophen-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
PubChem CID80854414
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC Name8-N-[(3-methylthiophen-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
SMILESCc1ccsc1CNc1nc(N)cn2ccnc12
InChIInChI=1S/C12H13N5S/c1-8-2-5-18-9(8)6-15-11-12-14-3-4-17(12)7-10(13)16-11/h2-5,7H,6,13H2,1H3,(H,15,16)
InChIKeyISICZRVRCAYNKO-UHFFFAOYSA-N
XLogP2.29
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-N-[(5-chlorothiophen-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80836363
8-N-(1,2-oxazol-5-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 114187084
8-N-[(6-methoxy-3-pyridinyl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80831802
8-N-(1,2,4-oxadiazol-3-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 106411978
methyl 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]acetate
CID 80776875
3-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-N,N-dimethylpropanamide
CID 80814263
8-N-[2-[cyclopropyl(methyl)amino]ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80824349
8-N-(3-ethylpentan-3-yl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80841859
3-N-[(3-methylthiophen-2-yl)methyl]quinoxaline-2,3-diamine
CID 102984697
6-chloro-2-N-[(3-methylthiophen-2-yl)methyl]pyridine-2,3-diamine
CID 115474328
8-N-(4-ethylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80761933
(2S)-2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-3-methylbutan-1-ol
CID 80848904

Frequently Asked Questions

What is the IUPAC name of 8-N-[(3-methylthiophen-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The IUPAC name of 8-N-[(3-methylthiophen-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine (CID 80854414) is 8-N-[(3-methylthiophen-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine.
What is the SMILES notation for 8-N-[(3-methylthiophen-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The canonical SMILES for 8-N-[(3-methylthiophen-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine is Cc1ccsc1CNc1nc(N)cn2ccnc12.
What is the InChIKey of 8-N-[(3-methylthiophen-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The InChIKey is ISICZRVRCAYNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c1-8-2-5-18-9(8)6-15-11-12-14-3-4-17(12)7-10(13)16-11/h2-5,7H,6,13H2,1H3,(H,15,16).
What are the key properties of 8-N-[(3-methylthiophen-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine?
8-N-[(3-methylthiophen-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine has a molecular weight of 259.34 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[(3-methylthiophen-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine is sourced from PubChem (CID 80854414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).